[gmx-users] double processor run
hritz at tom.fos.su.se
Wed Mar 6 15:42:38 CET 2002
thanks for help
> First, you probably need some kind of 'mpirun' command (and perhaps a
> 'lamboot' first), but this depends on your MPI implementation.
> When you use 'mpirun' you might have to specify -np 2 (or -n 2) both for
> mpirun and mdrun_mpi, since mpirun might scan the entire command line
> and capture the first '-np' option.
I used command without mpirun, because such opportuniny is described in
paper manual p. 114
Also syntax for using mpirun described there doesn't work on my double
processor computer. What works is:
mpirun -np 2 mdrun_mpi -np 2 -s pokus.tpr -o pokus.trr -c pokus.gro -v -N 2
But probably also some 'nicer' syntax is possible.
Maybe for benephit of other users page 114 in paper manual should be
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